REMARK Name = BDB003540 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.953 -2.201 2.019 0.00 0.00 +0.047 C ATOM 2 C LIG 1 -5.742 -0.737 1.783 0.00 0.00 -0.007 A ATOM 3 C LIG 1 -4.330 -0.264 1.562 0.00 0.00 +0.145 A ATOM 4 N LIG 1 -4.146 1.091 1.339 0.00 0.00 -0.267 N ATOM 5 C LIG 1 -2.870 1.581 1.125 0.00 0.00 +0.268 A ATOM 6 C LIG 1 -1.767 0.580 1.155 0.00 0.00 +0.083 A ATOM 7 C LIG 1 -2.067 -0.719 1.377 0.00 0.00 +0.150 A ATOM 8 N LIG 1 -1.013 -1.659 1.385 0.00 0.00 -0.302 N ATOM 9 C LIG 1 0.315 -1.284 1.145 0.00 0.00 +0.140 A ATOM 10 N LIG 1 1.262 -2.181 1.158 0.00 0.00 -0.283 NA ATOM 11 H LIG 1 2.185 -1.735 1.017 0.00 0.00 +0.188 HD ATOM 12 C LIG 1 0.643 0.168 0.870 0.00 0.00 +0.079 A ATOM 13 C LIG 1 -0.397 1.018 0.929 0.00 0.00 +0.033 A ATOM 14 O LIG 1 -2.607 2.767 0.908 0.00 0.00 -0.267 OA ATOM 15 C LIG 1 -5.221 1.971 1.322 0.00 0.00 +0.096 A ATOM 16 C LIG 1 -6.476 1.554 1.520 0.00 0.00 +0.019 A ATOM 17 N LIG 1 -3.362 -1.122 1.590 0.00 0.00 -0.211 NA ATOM 18 C LIG 1 -6.739 0.161 1.756 0.00 0.00 +0.008 A ENDROOT BRANCH 12 19 ATOM 19 C LIG 1 2.038 0.637 0.622 0.00 0.00 +0.248 C ATOM 20 N LIG 1 2.174 1.802 -0.099 0.00 0.00 -0.311 N ATOM 21 H LIG 1 1.372 2.221 -0.549 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 2.997 -0.030 1.000 0.00 0.00 -0.270 OA BRANCH 20 23 ATOM 23 C LIG 1 3.484 2.329 -0.445 0.00 0.00 +0.109 C BRANCH 23 24 ATOM 24 C LIG 1 4.089 1.627 -1.664 0.00 0.00 +0.054 C BRANCH 24 25 ATOM 25 C LIG 1 5.425 2.219 -2.035 0.00 0.00 -0.046 A ATOM 26 C LIG 1 6.591 1.786 -1.389 0.00 0.00 +0.004 A ATOM 27 C LIG 1 7.827 2.350 -1.707 0.00 0.00 +0.000 A ATOM 28 C LIG 1 7.908 3.353 -2.670 0.00 0.00 +0.000 A ATOM 29 C LIG 1 6.754 3.795 -3.315 0.00 0.00 +0.000 A ATOM 30 C LIG 1 5.516 3.232 -2.998 0.00 0.00 +0.004 A ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 12 19 BRANCH 8 31 ATOM 31 C LIG 1 -1.322 -3.089 1.583 0.00 0.00 +0.199 C BRANCH 31 32 ATOM 32 C LIG 1 -1.689 -3.832 0.339 0.00 0.00 +0.125 A ATOM 33 O LIG 1 -2.937 -4.390 0.293 0.00 0.00 -0.466 OA ATOM 34 C LIG 1 -3.051 -5.005 -0.912 0.00 0.00 +0.195 A ATOM 35 C LIG 1 -1.894 -4.859 -1.640 0.00 0.00 +0.041 A ATOM 36 C LIG 1 -1.010 -4.105 -0.831 0.00 0.00 +0.046 A ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 6